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MODELING THE EFFECT OF WATER VAPOR ON THE INTERFACIAL BEHAVIOR OF HIGH-TEMPERATURE AIR IN CONTACT WITH Fe20Cr SURFACES...

by Ariel A Chialvo, Michael P Brady, James R Keiser, David R Cole
Publication Type
Journal
Journal Name
Scripta Materialia
Publication Date
Page Numbers
1027 to 1030
Volume
64
Issue
11

The purpose of this communication is to provide an atomistic view, via molecular
dynamic simulation, of the contrasting interfacial behavior between high temperature
dry- and (10-40 vol%) wet-air in contact with stainless steels as represented by Fe20Cr.
It was found that H2O preferentially adsorbs and displaces oxygen at the metal/fluid
interface. Comparison of these findings with experimental studies reported in the
literature is discussed.
Keywords: Fe-Cr alloys, metal-fluid interfacial behavior, wet-air, molecular simulation